(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide

C27H36N2O9S — CID 23986331

About (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23986331) has the molecular formula C27H36N2O9S and a molecular weight of 564.66 g/mol. Its IUPAC name is (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 23986331
• Molecular Formula: C27H36N2O9S
• Molecular Weight: 564.66 g/mol
• Exact Mass: 564.21
• IUPAC Name: (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: COCCNC(=O)C1=C[C@H](c2ccc(OC)cc2)C[C@H](OCCN(CCO)S(=O)(=O)c2ccc(OC)cc2)O1
• InChI: InChI=1S/C27H36N2O9S/c1-34-16-12-28-27(31)25-18-21(20-4-6-22(35-2)7-5-20)19-26(38-25)37-17-14-29(13-15-30)39(32,33)24-10-8-23(36-3)9-11-24/h4-11,18,21,26,30H,12-17,19H2,1-3H3,(H,28,31)/t21-,26+/m0/s1
• InChIKey: KQISVTLLCIOMET-HFZDXXHNSA-N
• XLogP: 1.88
• TPSA: 132.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.66
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23986331) is (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is COCCNC(=O)C1=C[C@H](c2ccc(OC)cc2)C[C@H](OCCN(CCO)S(=O)(=O)c2ccc(OC)cc2)O1.

What is the InChIKey of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is KQISVTLLCIOMET-HFZDXXHNSA-N. The full InChI is InChI=1S/C27H36N2O9S/c1-34-16-12-28-27(31)25-18-21(20-4-6-22(35-2)7-5-20)19-26(38-25)37-17-14-29(13-15-30)39(32,33)24-10-8-23(36-3)9-11-24/h4-11,18,21,26,30H,12-17,19H2,1-3H3,(H,28,31)/t21-,26+/m0/s1.

What are the key properties of (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?

(2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 564.66 g/mol, XLogP of 1.88, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23986331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).